| PDB CCD ID: | J14 |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C21 H30 F N5 |
| InChI: | InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20-/m1/s1 |
| InChIKey: | PUOKPLCASUFBAN-YLJYHZDGSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCCc3cccc(F)c3)c1 | | ACDLabs 11.02 | Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C | | CACTVS 3.352 | Cc1cc(N)nc(C[C@@H]2CNC[C@H]2NCCNCCc3cccc(F)c3)c1 | | OpenEye OEToolkits 1.7.0 | Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F | | OpenEye OEToolkits 1.7.0 | Cc1cc(nc(c1)N)CC2CNCC2NCCNCCc3cccc(c3)F |
|
| Name: | N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine;
N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride |
| ChEMBL: | CHEMBL1233717 |
| ZINC: | ZINC000040943289 |
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